Details of the Drug

General Information of Drug (ID: DMVFK3J)

Drug Name

PFI-1

Synonyms

QCR-192; HY-16586; PF-6405761

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

347.4

Logarithm of the Partition Coefficient (xlogp)

1.2

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C16H17N3O4S
IUPAC Name: 2-methoxy-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide
Canonical SMILES: CN1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3OC)NC1=O
InChI: InChI=1S/C16H17N3O4S/c1-19-10-11-9-12(7-8-13(11)17-16(19)20)18-24(21,22)15-6-4-3-5-14(15)23-2/h3-9,18H,10H2,1-2H3,(H,17,20)
InChIKey: TXZPMHLMPKIUGK-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bromodomain-containing protein 4 (BRD4)	TTRA6BO	BRD4_HUMAN	Inhibitor	[1]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Actin, aortic smooth muscle (ACTA2)	OTEDLG8E	ACTA_HUMAN	Gene/Protein Processing	[2]
Collagen alpha-1(I) chain (COL1A1)	OTI31178	CO1A1_HUMAN	Gene/Protein Processing	[2]
Collagen alpha-1(V) chain (COL5A1)	OT24078H	CO5A1_HUMAN	Gene/Protein Processing	[2]
Collagen alpha-2(I) chain (COL1A2)	OTY7G382	CO1A2_HUMAN	Gene/Protein Processing	[2]
Fibrillin-1 (FBN1)	OTYCJT63	FBN1_HUMAN	Gene/Protein Processing	[2]
Fibronectin (FN1)	OTB5ZN4Q	FINC_HUMAN	Gene/Protein Processing	[2]
Integrin alpha-1 (ITGA1)	OTDITIST	ITA1_HUMAN	Gene/Protein Processing	[2]
Integrin alpha-4 (ITGA4)	OTSCAL0V	ITA4_HUMAN	Gene/Protein Processing	[2]
Integrin alpha-5 (ITGA5)	OT3RCI67	ITA5_HUMAN	Gene/Protein Processing	[2]
Integrin beta-1 (ITGB1)	OT6G1IAR	ITB1_HUMAN	Gene/Protein Processing	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Bromodomain-containing protein 4 (BRD4)	DTT	BRD4	3.27E-01	0.02	0.04

Molecular Expression Atlas (MEA)

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Identification of a chemical probe for bromo and extra C-terminal bromodomain inhibition through optimization of a fragment-derived hit. J Med Chem. 2012 Nov 26;55(22):9831-7.
2	BRD4 is a novel therapeutic target for liver fibrosis. Proc Natl Acad Sci U S A. 2015 Dec 22;112(51):15713-8. doi: 10.1073/pnas.1522163112. Epub 2015 Dec 7.